| CAS Number | 1255574-70-9 |
| Catalog Number | AG009BR7(AGN-PC-0WRA7F) |
| Chemical Name | 3-T-Butyl-1-(2-hydroxyethyl)pyrazole |
| IUPAC Name | 2-(3-tert-butylpyrazol-1-yl)ethanol |
| InChI | InChI=1S/C9H16N2O/c1-9(2,3)8-4-5-11(10-8)6-7-12/h4-5,12H,6-7H2,1-3H3 |
| InChI Key | IBOFWWFXTWVQTR-UHFFFAOYSA-N |
| MDL Number | MFCD17214256 |
| Molecular Formula | C9H16N2O |
| Molecular Weight | 168.2361 |
| SMILES | OCCn1ccc(n1)C(C)(C)C |
| Synonyms | 1255574-70-9,
3-T-BUTYL-1-(2-HYDROXYETHYL)PYRAZOLE,
2-(3-(tert-Butyl)-1H-pyrazol-1-yl)ethanol,
2-(3-tert-Butyl-1H-pyrazol-1-yl)ethan-1-ol,
SCHEMBL19557879,
DTXSID80681977,
MFCD17214256,
ZINC65337081,
2-(3-tert-butylpyrazol-1-yl)ethanol,
B-2629,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.24g/mol |
| Monoisotopic Mass | 168.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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